SCHEMBL30508362

SCHEMBL30508362

COC(=O)c1cc(-c2ccc3c(c2)CCC3N2CCN(C3CCOCC3)CC2)cnc1N

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 13/20 0.43
BMPR1A P36894 13/20 0.43
TGFBR1 P36897 13/20 0.43
ACVRL1 P37023 13/20 0.43
ACVR1 Q04771 13/20 0.43
GHSR Q92847 1/20 0.42
PIK3C3 Q8NEB9 2/20 0.42
MET P08581 2/20 0.40
ABL1 P00519 1/20 0.40
RET P07949 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
EPHA2 P29317 1/20 0.40
MST1R Q04912 1/20 0.40
MAP4K4 O95819 2/20 0.39
PDE5A O76074 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29152377 1.00 BMPR1B (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29042048 0.94 BMPR1B (0.42) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508273 0.94 BMPR1B (0.42) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508371 0.89 MAP4K4 (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508244 0.83 PIK3C3 (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508206 0.83 ACVR1 (0.42) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29041972 0.83 PIK3C3 (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508209 0.83 BMPR1B (0.62) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508286 0.82 PIK3C3 (0.53) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29042035 0.82 PIK3C3 (0.53) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478145-B ALK2 kinase inhibitors 杭州邦顺制药有限公司 2024-02-02 CN disclosed
CN-116478145-A ALK2 kinase inhibitors 杭州邦顺制药有限公司 2023-07-25 CN disclosed